# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T01:56:25+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P -4' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1001072","8.19","","8.19","","8.209","","90","","90","","90","","550.6","","","","","","","","","","","","","4","P -4","P -4","81","","STRONTIUM CALCIUM NIOBIUM OXIDE (1/0.3/0.7/3)","","- Ca0.3333 Nb0.6667 O3 Sr -","- Ca0.33335 Nb0.66665 O3 Sr -","- Ca2.6668 Nb5.3332 O24 Sr8 -","8","2","","Hervieu, M; Raveau, B","Les Perovskites (Ca~1-x~ Sr~x~) (Ca~.3333~ Nb~.6667~) O~3~","Journal of Solid State Chemistry","1979","28","","209","222","10.1016/0022-4596(79)90073-2","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010013","4.19","0.02","4.19","0.02","7.94","0.03","90","","90","","90","","139.4","","","","","","","","","","","","","4","P -4","P -4","81","","Ammonium mercury trichloride","","- Cl3 H4 Hg N -","- Cl3 H5 Hg N -","- Cl3 H5 Hg N -","1","0.25","","Harmsen, E. J.","The crystal structure of NH~4~HgCl~3~","Zeitschrift für Kristallographie - Crystalline Materials","1939","100","1-6","208","211","10.1524/zkri.1939.100.1.208","","","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1010092","5.74","","5.74","","5","","90","","90","","90","","164.7","","","","","","","","","","","","","3","P -4","P -4","81","","Ammonium nitrate - II","","- H4 N2 O3 -","","","2","0.5","","Hendricks, S B; Posnjak, E; Kracek, F C","Molecular Rotation in the Solid State. The Variation of the Crystal Structure of Ammonium Nitrate with Temperature","Journal of the American Chemical Society","1932","54","","2766","2786","10.1021/ja01346a020","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1508548","32.15167","0.00018","32.15167","0.00018","12.28484","0.0001","90","","90","","90","","12699.2","0.14","173","","173","","","","","","","","","5","P -4","P -4","81","","","","- C57 H100 N4 O10.25 Zn2 -","- C44 H72 N4 O7 Zn2 -","- C352 H576 N32 O56 Zn16 -","8","2","","Buchard, Antoine; Jutz, Fabian; Kember, Michael R.; White, Andrew J. P.; Rzepa, Henry S.; Williams, Charlotte K.","Experimental and Computational Investigation of the Mechanism of Carbon Dioxide/Cyclohexene Oxide Copolymerization Using a Dizinc Catalyst","Macromolecules","2012","45","17","6781","","10.1021/ma300803b","","","1.54184","CuKα","","0.0645","0.057","","","0.1494","0.1564","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1510369","5.019","","5.019","","8.428","","90","","90","","90","","212.304","","","","","","","","","","","","","3","P -4","P -4","81","","Ca (Au F6)2","","- Au2 Ca F12 -","- Au2 Ca F12 -","- Au2 Ca F12 -","1","0.25","","Val'kovskii, M.D.; Popov, A.I.; Sokolov, V.B.; Chumaevskii, N.A.; Kiselev, Yu.M.; Spirin, S.N.","Structure of fluoroaurates(V) earth alkali elements","Zhurnal Neorganicheskoi Khimii","1990","35","","1970","1977","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511273","6.951","","6.951","","9.73","","90","","90","","90","","470.119","","","","","","","","","","","","","4","P -4","P -4","81","","Pb6 (P O4) (B (P O4)4)","","- B O20 P5 Pb6 -","- B O20 P5 Pb6 -","- B O20 P5 Pb6 -","1","0.25","","Belokoneva, E.L.; Dimitrova, O.V.; Stefanovich, S.Yu.; Ruchkina, E.A.","Synthesis and crystal structure of new lead borophosphate Pb6 (P O4) (B (P O4)4)","Zhurnal Neorganicheskoi Khimii","2001","46","","226","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511944","23.187","0.003","23.187","0.003","26.056","0.005","90","","90","","90","","14009","4","100","","100","","","","","","","","","3","P -4","P -4","81","","","","- C213 H24 O12 -","- C213 H24 O12 -","- C852 H96 O48 -","4","1","","Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts","Organic Letters","2013","15","9","2164","","10.1021/ol4006882","","","0.75","synchrotron","","0.2171","0.2016","","","0.4817","0.5027","","","","","","2.23","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512260","23.492","0.003","23.492","0.003","38.021","0.008","90","","90","","90","","20983","6","150","2","150","2","","","","","","","","5","P -4","P -4","81","h24 TBAB clathrate hydrate","tetra-n-butylammonium bromide clathrate hydrate","","- C16 H84 Br N O24 -","- C12 H27 Br0.651417 N0.75 O18.7925 -","- C288 H648 Br15.634 N18 O451.02 -","24","6","","Rodionova, Tatyana V.; Komarov, Vladislav Yu; Villevald, Galina V.; Karpova, Tamara D.; Kuratieva, Natalia V.; Manakov, Andrey Yu","Calorimetric and structural studies of tetrabutylammonium bromide ionic clathrate hydrates.","The journal of physical chemistry. B","2013","117","36","10677","10685","10.1021/jp406082z","","","0.71073","MoKα","","0.2679","0.1987","","","0.4307","0.4984","","","","","","1.83","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1520618","15.6111","0.0001","15.6111","0.0001","10.505","0.0001","90","","90","","90","","2560.14","0.03","150","","150","","","","","","","","","5","P -4","P -4","81","","","","- C56 H100 F N O4 -","- C56 H100 F N O4 -","- C112 H200 F2 N2 O8 -","2","0.5","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0582","0.0574","","0.1565","0.1551","0.1565","","","","","","1.0106","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1521529","5.414","","5.414","","5.414","","90","","90","","90","","158.692","","","","","","","","","","","","","4","P -4","P -4","81","","Cu2 Fe (Sn S4)","","- Cu2 Fe S4 Sn -","- Cu2 Fe S4 Sn -","- Cu2 Fe S4 Sn -","1","0.25","","Llanos, J.; Tapia, M.; Mujica, C.; Oro-Sole, J.; Gomez-Romero, P.","A new structural modification of stannite","Boletin de la Sociedad Chilena de Quimica","2000","45","","605","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526277","11.3099","","11.3099","","7.9216","","90","","90","","90","","1013.28","","","","","","","","","","","","","5","P -4","P -4","81","","Cs3 Zn4 O (As O4)3 (H2 O)4","","- As3 Cs3 H8 O17 Zn4 -","- As3 Cs3 O17 Zn4 -","- As6 Cs6 O34 Zn8 -","2","0.5","","Harrison, W.T.A.; Phillips, M.L.F.; Bu Xianhui","Synthesis and single-crystal structure of Cs3 Zn4 O (As O4)3 * 4(H2 O), an open-framework zinc arsenate","Microporous and Mesoporous Materials","2000","39","","359","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528802","19","","19","","5.47","","90","","90","","90","","1974.67","","","","","","","","","","","","","7","P -4","P -4","81","","Na2 Co (N C S)4 (H2 O)8","","- C4 H16 Co N4 Na2 O8 S4 -","- C4 H16 Co N4 Na2 O8 S4 -","- C16 H64 Co4 N16 Na8 O32 S16 -","4","1","","Preisinger, A.","Ueber die Kristallstruktur des Julienite, Na2 Co (N C S)4 (H2 O)8","Mineralogische und Petrographische Mitteilungen","1953","3","","376","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1532350","5.125","","5.125","","11.672","","90","","90","","90","","306.572","","","","","","","","","","","","","4","P -4","P -4","81","","Bi0.78 Cd0.22 V O3.72","","- Bi0.78 Cd0.22 O3.72 V -","- Bi0.78 Cd0.22 O3.72 V -","- Bi3.12 Cd0.88 O14.88 V4 -","4","1","","Uma, S.; Bliesner, R.; Sleight, A.W.","Oxygen ion conductivity in new oxygen deficient phases with scheelite related structures","Solid State Sciences","2002","4","","329","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532353","5.121","","5.121","","11.701","","90","","90","","90","","306.855","","","","","","","","","","","","","4","P -4","P -4","81","","Bi0.71 Ca0.29 V O3.855","","- Bi0.7225 Ca0.2775 O3.92 V -","- Bi0.7225 Ca0.2775 O3.92 V -","- Bi2.89 Ca1.11 O15.68 V4 -","4","1","","Uma, S.; Bliesner, R.; Sleight, A.W.","Oxygen ion conductivity in new oxygen deficient phases with scheelite related structures","Solid State Sciences","2002","4","","329","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535310","20.2354","","20.2354","","12.3785","","90","","90","","90","","5068.64","","","","","","","","","","","","","6","P -4","P -4","81","","K3 (P Mo12 O36 (O H)4 (La (H2 O)4.25 Cl0.75)4) (P Mo12 O40) (H2 O)28","","- Cl3 K3 La4 Mo24 O107 P2 -","- Cl3 K3 La4 Mo24 O107 P2 -","- Cl6 K6 La8 Mo48 O214 P4 -","2","0.5","","Mialane, P.; Dolbecq, A.; Secheresse, F.; Lisnard, L.; Marrot, J.; Mallard, A.","[eta-P Mo12 O36 ( OH)4 {La (H2 O)4}4]5+: The First eta-P Mo12 O40 Keggin Ion and Its Association with the Two-Electron-Reduced alpha-P Mo12 O40 Isomer","Angew. Chem. Int. ed.","2002","41","","2398","2401","","","","","","","","","","","","","","","","","","","","","","has coordinates","162612","2020-10-21","18:00:00",""
"1535842","4.282","","4.282","","6.182","","90","","90","","90","","113.35","","","","","","","","","","","","","3","P -4","P -4","81","","K (N D2)","","- D2 K N -","- K N -","- K2 N2 -","2","0.5","","Nagib, M.; von Osten, E.; Jacobs, H.","Neutronenbeugung an drei Modifikationen des Kaliumdeuteroamids K N D2","Atomkernenergie","1977","29","","41","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1543413","26.7176","0.0005","26.7176","0.0005","7.1942","0.0002","90","","90","","90","","5135.4","0.2","250","2","250","2","","","","","","","","6","P -4","P -4","81","","","","- C45 H32 Cu1.88 I1.88 N4 S3 -","- C45 H32 Cu1.8762 I1.8762 N4 S2.991 -","- C180 H128 Cu7.5048 I7.5048 N16 S11.964 -","4","1","","Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki","Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks","IUCrJ","2016","3","4","","","10.1107/S2052252516008423","","","0.8","synchrotron","","0.0866","0.0675","","","0.208","0.2346","","","","","","1.013","","","","has coordinates,has disorder","183354","2020-10-21","18:00:00",""
"1545477","15.4983","0.0011","15.4983","0.0011","7.6894","0.0007","90","","90","","90","","1847","0.3","296","2","296","2","","","","","","","","6","P -4","P -4","81","","","","- C37 H28 Ag2 N8 O8 Re2 -","- C37 H28 Ag2 N8 O8 Re2 -","- C74 H56 Ag4 N16 O16 Re4 -","2","0.5","","Sheng, Daopeng; Zhu, Lin; Xu, Chao; Xiao, Chengliang; Wang, Yanlong; Wang, Yaxing; Chen, Lanhua; Diwu, Juan; Chen, Jing; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Efficient and Selective Uptake of TcO4(-) by a Cationic Metal-Organic Framework Material with Open Ag(+) Sites.","Environmental science & technology","2017","","","","","10.1021/acs.est.7b00339","","","0.71073","MoKα","","0.0216","0.0212","","","0.0577","0.0581","","","","","","1.258","","","","has coordinates","193662","2020-10-21","18:00:00",""
"1551668","18.181","0.003","18.181","0.003","7.4559","0.0014","90","","90","","90","","2464.5","0.7","298","","298","","","","","","","","","7","P -4","P -4","81","","","","- C24 H20 Cl2 Fe N2 O2 P -","- C24 H20 Cl2 Fe N2 O2 P -","- C96 H80 Cl8 Fe4 N8 O8 P4 -","4","1","","AKUTSU, Hiroki; YAMADA, Jun-ichi; NAKATSUJI, Shin'ichi; TURNER, Scott S.","Crystal Structure of PPh4[Fe(NO)2Cl2]","X-ray Structure Analysis Online","2014","30","0","49","","10.2116/xraystruct.30.49","","","0.71075","MoKα","","0.1122","0.059","","","0.1083","0.1313","","","","","","1.03","","","","has coordinates","216279","2020-10-21","18:00:00",""
"1554389","13.2295","0.0008","13.2295","0.0008","19.2267","0.0013","90","","90","","90","","3365.1","0.4","140","2","140","2","","","","","","","","6","P -4","P -4","81","","","","- C68 H96 B2 Mg2 N4 O6 -","- C68 H96 B2 Mg2 N4 O6 -","- C136 H192 B4 Mg4 N8 O12 -","2","0.5","","Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds","Organic Chemistry Frontiers","2018","5","24","3538","","10.1039/C8QO00720A","","","0.71073","MoKα","","0.1547","0.0647","","","0.1293","0.1641","","","","","","0.886","","","","has coordinates","237180","2020-10-21","18:00:00",""
"1560033","20.3708","0.0002","20.3708","0.0002","16.6734","0.0003","90","","90","","90","","6918.95","0.16","99.9","0.5","99.9","0.5","","","","","","","","5","P -4","P -4","81","2 and 3","2 and 3","","- C58.34 H113.47 O Si9 U2 -","- C58.34 H113.46 O Si9 U2 -","- C233.36 H453.84 O4 Si36 U8 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0681","0.0658","","","0.1594","0.1616","","","","","","1.076","","","","has coordinates,has disorder","263685","2021-04-05","14:19:37",""
"1565078","11.2591","0.0007","11.2591","0.0007","7.1282","0.0005","90","","90","","90","","903.62","0.1","100.01","0.1","100","1","","","","","","","","4","P -4","P -4","81","","tetrakis(4-metoxyhydroxyborylphenyl)adamantane water disolvate","","- C38 H48 B4 O10 -","- C38 H48 B4 O10 -","- C38 H48 B4 O10 -","1","0.25","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","","1.54184","CuKα","","0.0741","0.064","","","0.1759","0.1872","","","","","","1.066","","","","has coordinates","271178","2021-12-07","03:09:07",""
"1565679","9.7089","0.0004","9.7089","0.0004","14.5943","0.0016","90","","90","","90","","1375.7","0.17","150","2","150","2","","","","","","","","6","P -4","P -4","81","","","","- Cl H57 Mo8 N12 O56.5 P9 -","- Cl H57 Mo8 N12 O56.5 P9 -","- Cl H57 Mo8 N12 O56.5 P9 -","1","0.25","","Jiang, Zhongqi; Chen, Wenqiang; Jing, Qun; Lee, Ming-Hsien; Chen, Zhaohui","[NH4]12[(MoO2)2O(HPO4)2]4[PO4]Cl·0.5H2O: A mixed phosphomolybdate with nonlinear optical properties","Inorganica Chimica Acta","2020","499","","119198","","10.1016/j.ica.2019.119198","","","0.71073","MoKα","","0.0142","0.0139","","","0.0341","0.0342","","","","","","1.116","","","","has coordinates","271353","2021-12-13","09:04:51",""
"1566653","8.61942","0.00007","8.61942","","5.59301","0.00008","90","","90","","90","","415.529","0.007","","","","","","","","","","","","2","P -4","P -4","81","Ice XIX","","","- D2 O -","- D1.9992 O -","- D39.984 O20 -","20","5","","Yamane, R.; Komatsu, K.; Gouchi, J.; Uwatoko, Y.; Machida, S.; Hattori, T.; Ito, H.; Kagi, H.","Experimental evidence for the existence of a second partially-ordered phase of ice VI","Nature Communications","2021","12","","1129","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273847","2022-03-20","11:55:53",""
"1566655","8.834721","0.000033","8.834721","0.000033","5.75542","0.00005","90","","90","","90","","449.224","0.005","","","","","","","","","","","","2","P -4","P -4","81","ice XIX","","","- D2 O -","- D2 O -","- D40 O20 -","20","5","","Gasser, T. M.; Thoeny, A. V.; Fortes, A. D.; Loerting, T.","Structural characterization of ice XIX as the second polymorph related to ice VI","Nature Communications","2021","12","","1128","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273851","2022-03-21","00:29:09",""
"1569284","22.252","0.0011","22.252","0.0011","8.1795","0.0005","90","","90","","90","","4050.1","0.4","200","","200","","","","","","","","","4","P -4","P -4","81","","","","- C50 H38 N2 O6 -","- C50 H38 N2 O6 -","- C200 H152 N8 O24 -","4","1","","Zhang, Xiao-Wen; Chen, Xu-Lin; Lu, Can-Zhong","High-Contrast Visualization Chemiluminescence Based on AIE-Active and Base-Sensitive Emitters.","Molecules (Basel, Switzerland)","2023","28","9","3976","","10.3390/molecules28093976","","","0.71073","MoKα","","0.1339","0.0566","","","0.1214","0.157","","","","","","1.008","","","","has coordinates","284360","2023-06-06","02:21:13",""
"2009351","27.9391","0.0008","27.9391","0.0008","12.7565","0.0004","90","","90","","90","","9957.6","0.5","100","1","100","1","","","","","","","","4","P -4","P -4","81","","2,2'-Biphenol—diazabicyclo[2.2.2]octane (2/1)","","- C30 H32 N2 O4 -","- C30 H32 N2 O4 -","- C480 H512 N32 O64 -","16","4","SK1331","Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J.","2,2'-Biphenol‒1,4-diazabicyclo[2.2.2]octane (2/1), a three-dimensional framework built from O—H···O, O—H···N, N—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","1999","55","12","2136","2140","10.1107/S0108270199011440","","","0.71073","MoKα","","0.1279","0.0572","","","","0.1619","","","","","","1.009","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2011507","12.2436","0.0006","12.2436","0.0006","8.0708","0.0006","90","","90","","90","","1209.86","0.12","293","2","293","2","","","","","","","","7","P -4","P -4","81","","","","- C12 H22 Hg Mn N6 O4 S4 -","- C12 H22 Hg Mn N6 O4 S4 -","- C24 H44 Hg2 Mn2 N12 O8 S8 -","2","0.5","GD1102","Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong; Liu, Jiu Rong; Lu, Guang Tian","Polymeric diaquatetra-μ-thiocyanato-manganese(II)mercury(II) bis(<i>N</i>,<i>N</i>-dimethylacetamide) solvate","Acta Crystallographica Section C","2000","56","11","1305","1307","10.1107/S010827010001043X","","","0.71073","MoKα","","0.0542","0.0328","","","","0.0758","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011509","19.8403","0.0004","19.8403","0.0004","6.5068","0.0002","90","","90","","90","","2561.32","0.11","150","","150","","","","","","","","","3","P -4","P -4","81","","1,2-Diphenylbut-3-yn-2-ol","","- C16 H14 O -","- C16 H14 O -","- C128 H112 O8 -","8","2","GD1108","Madhavi, N. N. Laxmi; Desiraju, Gautam R.; Bilton, Clair; Howard, Judith A.K.; Allen, Frank H.","Racemic 1,2-diphenylbut-3-yn-2-ol","Acta Crystallographica Section C","2000","56","11","1359","1360","10.1107/S0108270100011343","","","0.71073","MoKα","","0.045","0.037","","","","0.092","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011677","18.1926","0.0002","18.1926","0.0002","8.4442","0.0001","90","","90","","90","","2794.78","0.05","150","2","150","2","","","","","","","","7","P -4","P -4","81","","","","- C21 H40 B7 Cl O Rh2 S -","- C21 H40 B7 Cl O Rh2 S -","- C84 H160 B28 Cl4 O4 Rh8 S4 -","4","1","BJ1000","Bould, Jonathan; Brownless, Annette; Kilner, Colin; Londesborough, Michael; Štíbr, Bohumil; Kennedy, John D.; Thornton-Pett, Mark","[μ-6,9-Cl-8-(OMe)-6,9-(η^5^-C~5~Me~5~)~2~-<i>arachno</i>-6,9,5-Rh~2~SB~7~H~7~]","Acta Crystallographica Section C","2001","57","1","52","54","10.1107/S0108270100015432","","","0.71073","MoKα","","0.0317","0.031","","","","0.0799","","","","","","1.143","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013323","12.0173","0.0008","12.0173","0.0008","7.6972","0.0005","90","","90","","90","","1111.59","0.13","150","2","150","2","","","","","","","","3","P -4","P -4","81","1,2,3,4-tetrakis(methoxycarbonylethoxy)calix[4]arene","tetraethyl calix[4]arene-1,2,3,4-tetrayltetra(oxyacetate)","","- C44 H48 O12 -","- C44 H48 O12 -","- C44 H48 O12 -","1","0.25","NA1598","Genorio, Boštjan; Kobe, Jože; Giester, Gerald; Leban, Ivan","Cone and 1,3-alternate conformers of 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene and 1,2,3,4-tetrakis(ethoxycarbonylmethoxy)calix[4]arene","Acta Crystallographica Section C","2003","59","4","o221","o224","10.1107/S0108270103005298","","","0.71073","MoKα","","0.0749","0.0647","","","0.1812","0.1924","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2100540","23.518","0.001","23.518","0.001","5.0263","0.0003","90","","90","","90","","2780","0.2","190","2","190","2","","","","","","","","5","P -4","P -4","81","","","","- Ca2 Co0.9 O7 Si2 Zn0.1 -","- Ca2 Co0.9 O7 Si2 Zn0.1 -","- Ca36 Co16.2 O126 Si36 Zn1.8 -","18","4.5","CK5015","Jia, Zihong. H.; Schaper, Andreas K.; Massa, Werner; Rager, Helmut","Structure and Phase Transitions in Ca~2~CoSi~2~O~7~ ‒ Ca~2~ZnSi~2~O~7~ Solid Solution Crystals","Acta Crystallographica, Section B","2006","62","4","547","555","10.1107/S0108768106016612","","","0.71073","MoKα","","0.1011","0.0758","","","0.1751","0.1948","","","","","","1.113","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103918","10.1815","0.0005","10.1815","0.0005","5.295","0.0001","90","","90","","90","","548.9","0.04","120","2","120","2","","","","","","","","1","P -4","P -4","81","","Metal","","- Ta -","- Ta -","- Ta30 -","30","7.5","SN0032","Arakcheeva, Alla; Chapuis, Gervais; Birkedal, Henrik; Pattison, Phil; Grinevitch, Vladimir","The commensurate composite σ-structure of β-tantalum","Acta Crystallographica Section B","2003","59","3","324","336","10.1107/S0108768103009005","","","0.70013","synchrotron","","0.0363","0.0363","","","0.0501","0.0501","","","","","","1.74","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2105716","10.1815","0.0005","10.1815","0.0005","5.295","0.0001","90","","90","","90","","548.9","0.04","120","2","120","2","","","","","","","","1","P -4","P -4","81","Ta","Metal","","- Ta -","- Ta -","- Ta30 -","30","7.5","","Arakcheeva, Alla; Chapuis, Gervais; Birkedal, Henrik; Pattison, Phil; Grinevitch, Vladimir","The commensurate composite σ-structure of β-tantalum","Acta Crystallographica Section B Structural Science","2003","59","3","324","","10.1107/S0108768103009005","","","0.70013","synchrotron","","0.0363","0.0363","","","0.0501","0.0501","","","","","","1.74","","","","has coordinates","292204","2024-06-05","14:01:46",""
"2106295","9.035","","9.035","","9.153","","90","","90","","90","","747.171","","","","","","","","","","","","","5","P -4","P -4","81","","K4 (V (C N)6 (N O)) (K O H)0.5 (H2 O)0.5","","- C6 K4.125 N7 O2 V -","- C6 K4.125 N7 O2 V -","- C12 K8.25 N14 O4 V2 -","2","0.5","","Drew, M.G.B.; Pygall, C.F.","The crystal and molecular structure of potassium hexacyanonitrosovanadate(I)-0.5 potassium hydroxide-0.5 hydrate","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2838","2842","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106608","8.489","","8.489","","6.468","","90","","90","","90","","466.104","","","","","","","","","","","","","5","P -4","P -4","81","","Na4 (C O (P O3)2) (H2 O)2","","- C H4 Na4 O9 P2 -","- C H4 Na4 O9 P2 -","- C2 H8 Na8 O18 P4 -","2","0.5","","Uchtman, V.A.; Jandacek, R.J.","The crystal and molecular structure of carbonyldiphosphonate tetrasodium dihydrate","Acta Crystallographica B (24,1968-38,1982)","1976","32","","488","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2219252","17.7893","0.0014","17.7893","0.0014","14.332","0.012","90","","90","","90","","4535","4","298","2","298","2","","","","","","","","5","P -4","P -4","81","","3-(4-Fluorophenyl)-2-(4-methoxyphenoxy)-4-oxo-5-phenyl- 4,5-dihydro-3<i>H</i>-pyrrolo[3,2-<i>d</i>]pyrimidine-7-carbonitrile","","- C26 H17 F N4 O3 -","- C26 H17 F N4 O3 -","- C208 H136 F8 N32 O24 -","8","2","BT2753","Zeng, Guo-Ping; Yan, Shi-Rong","3-(4-Fluorophenyl)-2-(4-methoxyphenoxy)-4-oxo-5-phenyl-4,5-dihydro-3<i>H</i>-pyrrolo[3,2-<i>d</i>]pyrimidine-7-carbonitrile","Acta Crystallographica Section E","2008","64","9","o1680","","10.1107/S1600536808024410","","","0.71073","MoKα","","0.1297","0.0545","","","0.0715","0.0872","","","","","","0.886","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2224852","4.7343","0.0001","4.7343","0.0001","7.0896","0.0004","90","","90","","90","","158.903","0.01","293","","293","","","","","","","","","4","P -4","P -4","81","","gallium boron phosphate","","- B0.29 Ga0.71 O4 P -","- B0.29095 Ga0.70905 O4 P -","- B0.5819 Ga1.4181 O8 P2 -","2","0.5","BR2131","Huang, Ya-Xi; Liu, Jin-You; Mi, Jin-Xiao; Zhao, Jing-Tai","(Ga~0.71~B~0.29~)PO~4~ with a high-cristobalite-type structure refined from powder data","Acta Crystallographica Section E","2010","66","2","i4","","10.1107/S1600536810000358","powder diffraction","","1.5405","CuKα~1~","","","","","","","","","","1.79","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2241170","24.0846","0.0003","24.0846","0.0003","15.2037","0.0003","90","","90","","90","","8819.2","0.2","110","","110","","","","","","","","","6","P -4","P -4","81","","Tetrakis(μ~3~-cyanato-κ^3^<i>N</i>)tetrakis[(triphenylphosphane-κ<i>P</i>)silver(I)]","","- C76 H60 Ag4 N4 O4 P4 -","- C76 H60 Ag4 N4 O4 P4 -","- C304 H240 Ag16 N16 O16 P16 -","4","1","","Frenzel, Peter; Schaarschmidt, Dieter; Jakob, Alexander; Lang, Heinrich","Crystal structure of an unknown tetrahydrofuran solvate of tetrakis(<i>{μ</i>}~3~-cyanato-κ^3^<i>N</i>:<i>N</i>:<i>N</i>)tetrakis[(triphenylphosphane-κ<i>P</i>)silver(I)]","Acta Crystallographica Section E","2015","71","10","1262","1265","10.1107/S2056989015017636","","","0.71073","MoKα","","0.0833","0.0454","","","0.1109","0.1312","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","159071","2020-10-21","18:00:00",""
"3000288","8.834721","0.000033","8.834721","0.000033","5.75542","0.00005","90","","90","","90","","449.224","0.005","","","70","","","","10","","","","","2","P -4","","","ice XIX","dideuterium oxide","","- D10 O5 -","","","","","","Gasser, Tobias; Thoeny, Alexander; Fortes, Dominic; Loerting, Thomas","","To be published in Nature Communications","","","","","","","","","","","","","","","","","","","","","","","","","","","","261121","2021-01-21","22:49:24","2021-02-22"
"4001380","12.238","0.005","12.238","0.005","12.398","0.005","90","","90","","90","","1856.8","1.3","123","2","123","","","","","","","","","8","P -4","P -4","81","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-samarium chloride clathrate hydrate)","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-samarium chloride clathrate hydrate)","","- C40 H24 Cl N8 Na6 O46 S8 Sm -","- C40 H24 Cl N8 Na6 O46 S8 Sm -","- C40 H24 Cl N8 Na6 O46 S8 Sm -","1","0.25","","Chandler, Brett D.; Yu, Joanne O.; Cramb, David T.; Shimizu, George K. H.","Series of Lanthanide-Alkali Metal-Organic Frameworks Exhibiting Luminescence and Permanent Microporosity","Chemistry of Materials","2007","19","18","4467","","10.1021/cm070930i","","x-ray","0.71069","MoKα","","0.1012","0.0764","","","0.1952","0.213","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4001381","12.265","0.005","12.265","0.005","12.421","0.005","90","","90","","90","","1868.5","1.3","123","2","123","2","","","","","","","","8","P -4","P -4","81","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-europium chloride clathrate hydrate)","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-europium chloride clathrate hydrate)","","- C40 H24 Cl Eu N8 Na6 O48 S8 -","- C40 H24 Cl Eu N8 Na6 O48 S8 -","- C40 H24 Cl Eu N8 Na6 O48 S8 -","1","0.25","","Chandler, Brett D.; Yu, Joanne O.; Cramb, David T.; Shimizu, George K. H.","Series of Lanthanide-Alkali Metal-Organic Frameworks Exhibiting Luminescence and Permanent Microporosity","Chemistry of Materials","2007","19","18","4467","","10.1021/cm070930i","","x-ray","0.71069","MoKα","","0.061","0.0554","","","0.1426","0.1482","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001382","12.234","0.005","12.234","0.005","12.373","0.005","90","","90","","90","","1851.9","1.3","123","2","123","","","","","","","","","8","P -4","P -4","81","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-gadolinium chloride clathrate hydrate)","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-gadolinium chloride clathrate hydrate)","","- C40 H24 Cl Gd N8 Na6 O48 S8 -","- C40 H24 Cl Gd N8 Na6 O48 S8 -","- C40 H24 Cl Gd N8 Na6 O48 S8 -","1","0.25","","Chandler, Brett D.; Yu, Joanne O.; Cramb, David T.; Shimizu, George K. H.","Series of Lanthanide-Alkali Metal-Organic Frameworks Exhibiting Luminescence and Permanent Microporosity","Chemistry of Materials","2007","19","18","4467","","10.1021/cm070930i","","x-ray","0.71069","MoKα","","0.0743","0.0648","","","0.1527","0.1689","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4001383","12.245","0.005","12.245","0.005","12.407","0.005","90","","90","","90","","1860.3","1.3","123","2","123","2","","","","","","","","8","P -4","P -4","81","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-terbium chloride clathrate hydrate)","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-terbium chloride clathrate hydrate)","","- C40 H24 Cl N8 Na6 O46 S8 Tb -","- C40 H24 Cl N8 Na6 O46 S8 Tb -","- C40 H24 Cl N8 Na6 O46 S8 Tb -","1","0.25","","Chandler, Brett D.; Yu, Joanne O.; Cramb, David T.; Shimizu, George K. H.","Series of Lanthanide-Alkali Metal-Organic Frameworks Exhibiting Luminescence and Permanent Microporosity","Chemistry of Materials","2007","19","18","4467","","10.1021/cm070930i","","x-ray","0.71069","MoKα","","0.0591","0.0528","","","0.1401","0.158","","","","","","1.194","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001384","12.213","0.005","12.213","0.005","12.345","0.005","90","","90","","90","","1841.3","1.3","123","2","123","","","","","","","","","8","P -4","P -4","81","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-dysprosium chloride clathrate hydrate)","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-dysprosium chloride clathrate hydrate)","","- C40 H24 Cl Dy N8 Na6 O47 S8 -","- C40 H24 Cl Dy N8 Na6 O47 S8 -","- C40 H24 Cl Dy N8 Na6 O47 S8 -","1","0.25","","Chandler, Brett D.; Yu, Joanne O.; Cramb, David T.; Shimizu, George K. H.","Series of Lanthanide-Alkali Metal-Organic Frameworks Exhibiting Luminescence and Permanent Microporosity","Chemistry of Materials","2007","19","18","4467","","10.1021/cm070930i","","","0.71069","MoKα","","0.045","0.0405","","","0.1034","0.1061","","","","","","1.053","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4002250","7.6209","","7.6209","","6.32","","90","","90","","90","","367.054","","","","","","","","","","","","","4","P -4","P -4","81","","Cu2 Te2 O5 Cl2","","- Cl2 Cu2 O5 Te2 -","- Cl2 Cu2 O5 Te2 -","- Cl4 Cu4 O10 Te4 -","2","0.5","","Johnsson, M.; Tornroos, K.W.; Mila, F.; Millet, P.","Tetrahedral clusters of copper(II): crystal structures and magnetic properties of Cu2 Te2 O5 X2 (X = Cl, Br)","Chemistry of Materials (1,1989-)","2000","12","","2853","2857","","","","","","","","","","","","","","","","","","","","","","has coordinates","140936","2020-10-21","18:00:00",""
"4002251","7.8355","","7.8355","","6.3785","","90","","90","","90","","391.608","","","","","","","","","","","","","4","P -4","P -4","81","","Cu2 Te2 O5 Br2","","- Br2 Cu2 O5 Te2 -","- Br2 Cu2 O5 Te2 -","- Br4 Cu4 O10 Te4 -","2","0.5","","Johnsson, M.; Tornroos, K.W.; Mila, F.; Millet, P.","Tetrahedral clusters of copper(II): crystal structures and magnetic properties of Cu2 Te2 O5 X2 (X = Cl, Br)","Chemistry of Materials (1,1989-)","2000","12","","2853","2857","","","","","","","","","","","","","","","","","","","","","","has coordinates","140938","2020-10-21","18:00:00",""
"4072238","15.3776","0.0004","15.3776","0.0004","8.3838","0.0002","90","","90","","90","","1982.52","0.09","150","2","150","2","","","","","","","synthesized by the authors","4","P -4","P -4","81","","","","- C22 H33 Cl Ti -","- C22 H33 Cl Ti -","- C88 H132 Cl4 Ti4 -","4","1","","Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K.","Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene","Organometallics","2008","27","21","5532","","10.1021/om800691f","","","0.71073","MoKα","","0.0518","0.051","","","0.151","0.1517","","","","","","1.12","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4076545","17.6548","0.0007","17.6548","0.0007","10.5683","0.0008","90","","90","","90","","3294.1","0.3","173","2","173","2","","","","","","","","7","P -4","P -4","81","","","","- C41 H98 Cl4 Ge4 N8 P2 Si4 -","- C41 H98 Cl4 Ge4 N8 P2 Si4 -","- C82 H196 Cl8 Ge8 N16 P4 Si8 -","2","0.5","","West, Joseph K.; Stahl, Lothar","Insertions of Cyclic and Acyclic Germanium and Tin Heterocarbenoids into Phosphorus‒Chlorine Bonds: Syntheses, Structures, and Reactivities","Organometallics","2012","31","5","2042","","10.1021/om3000168","","","0.71073","MoKα","","0.0232","0.0218","","","0.0593","0.06","","","","","","1.039","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4085273","16.7321","0.0019","16.7321","0.0019","7.963","0.0005","90","","90","","90","","2229.3","0.4","150","1","150","1","","","","","","","","5","P -4","P -4","81","","","","- C24 H23 Cl2 N2 Sb -","- C24 H23 Cl2 N2 Sb -","- C96 H92 Cl8 N8 Sb4 -","4","1","","Vránová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor","Reactivity of N,C,N-Chelated Antimony(III) and Bismuth(III) Chlorides with Lithium Reagents: Addition vs Substitution","Organometallics","2015","34","2","534","","10.1021/om5011879","","","0.71073","MoKα","","0.0504","0.0434","","","0.0881","0.0917","","","","","","1.145","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4087518","13.7754","0.0004","13.7754","0.0004","9.2246","0.0004","90","","90","","90","","1750.48","0.1","150","2","150","2","","","","","","","","3","P -4","P -4","81","","","","- C40 H52 U -","- C40 H52 U -","- C80 H104 U2 -","2","0.5","","Johnson, Sara A.; Kiernicki, John J.; Fanwick, Phillip E.; Bart, Suzanne C.","New Benzylpotassium Reagents and Their Utility for the Synthesis of Homoleptic Uranium(IV) Benzyl Derivatives","Organometallics","2015","34","12","2889","","10.1021/acs.organomet.5b00212","","","1.54178","CuKα","","0.0576","0.0428","","","0.1231","0.1331","","","","","","1.176","","","","has coordinates","236833","2020-10-21","18:00:00",""
"4100504","18","0.003","18","0.003","8.0441","0.0016","90","","90","","90","","2606.1","0.7","4","2","4","2","","","","","","","","6","P -4","P -4","81","CoL4","","","- C52 H60 Co N12 O12 S -","- C52 H60 Co N12 O12 S -","- C104 H120 Co2 N24 O24 S2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100505","18.07","0.003","18.07","0.003","8.0756","0.0016","90","","90","","90","","2636.9","0.7","120","2","120","2","","","","","","","","6","P -4","P -4","81","CoL4","","","- C52 H60 Co N12 O12 S -","- C52 H60 Co N12 O12 S -","- C104 H120 Co2 N24 O24 S2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100512","18.084","0.003","18.084","0.003","8.054","0.002","90","","90","","90","","2633.9","0.9","30","2","30","2","","","","","","","","6","P -4","P -4","81","CoTUP","","","- C52 H60 Co N12 O12 S -","- C52 H60 Co N12 O12 S -","- C104 H120 Co2 N24 O24 S2 -","2","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4112846","15.547","0.001","15.547","0.001","5.9581","0.0007","90","","90","","90","","1440.1","0.2","100","2","100","2","","","","","","","","4","P -4","P -4","81","PDTDA","4-(2'-pyridine)-1,2,3,5-dithiadiazolyl","","- C6 H4 N3 S2 -","- C6 H4 N3 S2 -","- C48 H32 N24 S16 -","8","2","","Nigel G. R. Hearns; Kathryn E. Preuss; John F. Richardson; Sofi Bin-Salamon","Design and Synthesis of a 4-(2'-Pyridyl)-1,2,3,5-Dithiadiazolyl Cobalt Complex","Journal of the American Chemical Society","2004","126","","9942","9943","10.1021/ja046304t","","","0.71073","MoKα","","0.0283","0.0267","","","0.0611","0.0616","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118794","16.6","0.0017","16.6","0.0017","7.1395","0.0007","90","","90","","90","","1967.4","0.3","293","2","293","2","","","100","","","","","3","P -4","P -4","81","tetra-(4-(7-norbonadienyl)-phenyl)-silan","tetra-(4-(7-norbonadienyl)-phenyl)-silan","","- C52 H44 Si -","- C52 H44 Si -","- C104 H88 Si2 -","2","0.5","","Ulrich Stoeck; Georg Nickerl; Ulrich Burkhardt; Irena Senkovska; Stefan Kaskel","Modular Construction of a Porous Organometallic Network Based on Rhodium Olefin Complexation","Journal of the American Chemical Society","2012","134","","17335","17337","10.1021/ja305482a","","x-ray","0.71073","MoKα","","0.1267","0.0542","","","0.1069","0.1337","","","","","","0.893","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4120565","25.322","0.002","25.322","0.002","10.553","0.002","90","","90","","90","","6766.6","1.5","100","2","100","2","","","","","","","","7","P -4","P -4","81","","","","- C64 H102 Cl6 Co2 Li N3 O -","- C64 H102 Cl6 Co2 Li N3 O -","- C256 H408 Cl24 Co8 Li4 N12 O4 -","4","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.0462","0.033","","","0.0602","0.0643","","","","","","1.022","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4121441","35.492","0.009","35.492","0.009","20.593","0.005","90","","90","","90","","25941","11","100","2","100","2","","","","","","","","6","P -4","P -4","81","","","","- C208 H168 B8 Cu8 F32 N32 -","- C208 H168 B4 Cu8 F16 N32 -","- C832 H672 B16 Cu32 F64 N128 -","4","1","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","0.71073","MoKα","","0.1105","0.0841","","","0.2206","0.2384","","","","","","1.025","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4123251","20.0854","0.0014","20.0854","0.0014","8.3655","0.0006","90","","90","","90","","3374.8","0.4","173","2","173","2","","","","","","","","5","P -4","P -4","81","LCuTHF","","","- C35 H45 Cu N3 O3 -","- C35 H45 Cu N3 O3 -","- C140 H180 Cu4 N12 O12 -","4","1","","Dhar, Debanjan; Tolman, William B.","Hydrogen Atom Abstraction from Hydrocarbons by a Copper(III)-Hydroxide Complex.","Journal of the American Chemical Society","2015","137","3","1322","1329","10.1021/ja512014z","","","1.54178","CuKα","","0.1666","0.1053","","","0.2363","0.2759","","","","","","1.022","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4128761","13.877","0.0002","13.877","0.0002","12.2284","0.0002","90","","90","","90","","2354.84","0.06","100","2","100","2","","","","","","","","4","P -4","P -4","81","","","","- C27 H36 Fe N2 -","- C27 H36 Fe N2 -","- C108 H144 Fe4 N8 -","4","1","","Kennedy, C. Rose; Zhong, Hongyu; Macaulay, Rachel L.; Chirik, Paul J.","Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","21","8557","8573","10.1021/jacs.9b02443","","","1.54178","CuKα","","0.0724","0.0594","","","0.1196","0.1255","","","","","","1.201","","","","has coordinates","221831","2020-10-21","18:00:00",""
"4132834","17.425","0.005","17.425","0.005","4.1752","0.0011","90","","90","","90","","1267.7","0.6","123","","123","2","","","","","","","","3","P -4","P -4","81","","","","- C16 H10 Br2 -","- C16 H10 Br2 -","- C64 H40 Br8 -","4","1","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71075","MoKα","","0.0566","0.0437","","","0.0913","0.0946","","","","","","0.938","","","","has coordinates","242727","2020-10-21","18:00:00",""
"4135146","13.6468","0.0009","13.6468","0.0009","7.0913","0.0004","90","","90","","90","","1320.65","0.14","100","2","100","2","","","","","","","","3","P -4","P -4","81","","","","- C62 H52 N4 -","- C62 H52 N4 -","- C62 H52 N4 -","1","0.25","","Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.","Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05384","","","0.71073","MoKα","","0.0832","0.0572","","","0.1452","0.1617","","","","","","0.907","","","","has coordinates,has disorder","255126","2020-10-21","18:00:00",""
"4305725","14.355","0.0009","14.355","0.0009","16.474","","90","","90","","90","","3394.7","0.3","293","2","293","2","","","","","","","","6","P -4","P -4","81","","","","- C20 H30 Cu Mo4 N8 O14 -","- C20 H28 Cu Mo4 N8 O14 -","- C80 H112 Cu4 Mo16 N32 O56 -","4","1","","Ya-Qian Lan; Shun-Li Li; Xin-Long Wang; Kui-Zhan Shao; Dong-Ying Du; Hong-Ying Zang; Zhong-Min Su","Self-Assembly of Polyoxometalate-Based Metal Organic Frameworks Based on Octamolybdates and Copper-Organic Units: from CuII, CuI,II to CuI via Changing Organic Amine","Inorganic Chemistry","2008","47","","8179","8187","10.1021/ic800702d","","","0.71069","MoKα","","0.1594","0.059","","","0.0928","0.1192","","","","","","0.986","","","","has coordinates","179095","2020-10-21","18:00:00",""
"4308458","16.5007","0.0004","16.5007","0.0004","14.9099","0.0004","90","","90","","90","","4059.56","0.18","293","2","293","2","","","","","","","","6","P -4","P -4","81","","","","- C72 H54 Cl2 Mn4 N12 O14 -","- C72 H54 Cl2 Mn4 N12 O14 -","- C144 H108 Cl4 Mn8 N24 O28 -","2","0.5","","En-Qing Gao; Shi-Qiang Bai; Zheng He; Chun-Hua Yan","Tetramanganese(II) Cluster with Centered Trigonal Topology: Structure and Magnetic Properties","Inorganic Chemistry","2005","44","","677","682","10.1021/ic048699n","","","0.71073","MoKα","","0.1788","0.0568","","","0.0852","0.1035","","","","","","1.043","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4314055","28.227","0.0013","28.227","0.0013","9.7046","0.0004","90","","90","","90","","7732.3","0.6","168","2","168","2","","","","","","","","5","P -4","P -4","81","K4(DPE)4(Py)4*2(Py)solv","","","- C86 H82 K4 N6 O4 -","- C86 H82 K4 N6 O4 -","- C344 H328 K16 N24 O16 -","4","1","","Timothy J. Boyle; Nicholas L. Andrews; Mark A. Rodriguez; Charles Campana; Timothy Yiu","Structural Variations of Potassium Aryloxides","Inorganic Chemistry","2003","42","","5357","5366","10.1021/ic034222k","","","0.71073","MoKα","","0.0835","0.0555","","","0.1109","0.1211","","","","","","1.327","","","","has coordinates,has disorder","179209","2020-10-21","18:00:00",""
"4314547","23.4751","0.0003","23.4751","0.0003","18.5932","0.0002","90","","90","","90","","10246.3","0.2","150","2","150","2","","","","","","","","7","P -4","P -4","81","","","","- C100 H223 F78 Mn12 N22 O51 P13 -","- C100 H218 F78 Mn12 N22 O51 P13 -","- C200 H436 F156 Mn24 N44 O102 P26 -","2","0.5","","Juan Modesto Clemente-Juan; Eugenio Coronado; Alicia Forment-Aliaga; Alejandro Gaita-Ariño; Carlos Giménez-Saiz; Francisco M. Romero; Wolfgang Wernsdorfer; R. Biagi; V. Corradini","Electronic and Magnetic Study of Polycationic Mn12 Single-Molecule Magnets with a Ground Spin State S = 11","Inorganic Chemistry","2010","49","","386","396","10.1021/ic901824d","","","0.71073","MoKα","","0.1011","0.0589","","","0.1373","0.1615","","","","","","1.025","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"4319489","27.039","0.004","27.039","0.004","15.358","0.003","90","","90","","90","","11228","3","153","2","153","2","","","","","","","","7","P -4","P -4","81","","","","- C88.67 H145 Ag4 N16.33 Na4 O24 S8 -","- C88.67 H144 Ag4 N16.335 Na4 O24 S8 -","- C354.68 H576 Ag16 N65.34 Na16 O96 S32 -","4","1","","Craig C. McLauchlan; James A. Ibers","Synthesis and Characterization of the Silver Maleonitrilediselenolates and Silver Maleonitriledithiolates [K([2.2.2]-cryptand)]4[Ag4(Se2C2(CN)2)4], [Na([2.2.2]-cryptand)]4[Ag4(S2C2(CN)2)4].0.33MeCN, [NBu4]4[Ag4(S2C2(CN)2)4], [K([2.2.2]-cryptand)]3[Ag(Se2C2(CN)2)2].2MeCN, and [Na([2.2.2]-cryptand)]3[Ag(S2C2(CN)2)2]","Inorganic Chemistry","2001","40","","1809","1815","10.1021/ic000868q","","","0.71073","MoKα","","0.0635","0.0473","","","0.0984","0.1029","","","","","","1.69","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4326212","14.928","0.002","14.928","0.002","4.6975","0.001","90","","90","","90","","1046.8","0.3","293","2","293","2","","","","","","","","4","P -4","P -4","81","","","","- B8 Cd12 Ge17 O58 -","- B8 Cd12 Ge17 O58 -","- B8 Cd12 Ge17 O58 -","1","0.25","","Xiang Xu; Chun-Li Hu; Fan Kong; Jian-Han Zhang; Jiang-Gao Mao","Ca10Ge16B6O51 and Cd12Ge17B8O58: Two Types of New 3D Frameworks Based on BO4 Tetrahedra and 1D [Ge4O12]n Chains","Inorganic Chemistry","2011","50","","8861","8868","10.1021/ic2008254","","","0.71073","MoKα","","0.0167","0.0145","","","0.0297","0.0301","","","","","","0.988","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4331567","23.7023","0.0011","23.7023","0.0011","13.7979","0.0009","90","","90","","90","","7751.6","0.7","443","2","443","2","","","","","","","","8","P -4","P -4","81","","","","- C49 H104.5 B Cl12 N12.5 O0 S0 Zr6 -","- C49 H95 B Cl12 N12.5 Zr6 -","- C196 H380 B4 Cl48 N50 Zr24 -","4","1","","Beauvais, Laurance G.; Long, Jeffrey R.","Synthesis and Characterization of Prussian Blue Analogues Incorporating the Edge-Bridged Octahedral [Zr6BCl12]2+Cluster Core","Inorganic Chemistry","2006","45","1","236","243","10.1021/ic051087y","","","0.71073","MoKα","","0.1074","0.0556","","","0.1","0.1184","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337279","16.8827","0.0003","16.8827","0.0003","12.6346","0.0002","90","","90","","90","","3601.18","0.11","100","","100","","","","","","","","","5","P -4","P -4","81","","","","- C60 H48 Cu4 N8 O16 -","- C60 H48 Cu4 N8 O16 -","- C120 H96 Cu8 N16 O32 -","2","0.5","","Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure","Synthesis, structural characterization, and magnetic properties of a copper-gadolinium complex derived from a hydroxybenzohydrazide ligand.","Inorganic chemistry","2014","53","4","2181","2187","10.1021/ic4027283","","","1.5418","CuKα","","0.0783","0.0748","","0.0915","0.0863","0.0853","","","","","","0.9937","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341527","15.2881","0.0004","15.2881","0.0004","14.1017","0.0014","90","","90","","90","","3295.9","0.3","293","2","293","2","","","","","","","","6","P -4","P -4","81","","","","- C64 H48 Cu3 F18 N12 P3 -","- C64 H48 Cu3 F18 N12 P3 -","- C128 H96 Cu6 F36 N24 P6 -","2","0.5","","Liu, Bo; Pan, Shanfei; Liu, Bin; Chen, Wanzhi","Di-, tri-, and tetranuclear copper(i) complexes of phenanthroline-linked dicarbene ligands.","Inorganic chemistry","2014","53","19","10485","10497","10.1021/ic501544d","","","0.71073","MoKα","","0.092","0.0613","","","0.1362","0.1558","","","","","","0.971","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4347176","16.4609","0.0003","16.4609","0.0003","10.6149","0.0008","90","","90","","90","","2876.2","0.2","93","2","93","2","","","","","","","","5","P -4","P -4","81","","","","- C58 H82 Cs2 Fe2 N6 -","- C58 H82 Cs2 Fe2 N6 -","- C116 H164 Cs4 Fe4 N12 -","2","0.5","","McWilliams, Sean F.; Rodgers, Kenton R.; Lukat-Rodgers, Gudrun; Mercado, Brandon Q.; Grubel, Katarzyna; Holland, Patrick L.","Alkali Metal Variation and Twisting of the FeNNFe Core in Bridging Diiron Dinitrogen Complexes.","Inorganic chemistry","2016","55","6","2960","2968","10.1021/acs.inorgchem.5b02841","","","1.54178","CuKα","","0.0779","0.0658","","","0.1646","0.1798","","","","","","1.07","","","","has coordinates,has disorder","232204","2020-10-21","18:00:00",""
"4501543","8.898","0.003","8.898","0.003","7.679","0.003","90","","90","","90","","608","0.4","293","2","293","2","","","","","","","","6","P -4","P -4","81","","","","- C12 H16 Ca Co2 N4 O16 -","- C12 H16 Ca Co2 N4 O16 -","- C12 H16 Ca Co2 N4 O16 -","1","0.25","","Borel, Cédric; Davies, Kate; Handa, Paul; Hedberg, Gustav; Oliver, Clive L.; Bourne, Susan A.; Håkansson, Mikael; Langer, Vratislav; Öhrström, Lars","Family of Isoreticular Chiral Metal−Organic Frameworks Based on Coordination and Hydrogen Bonds in [M[Co(ethylenediamine)(oxalato)2]2]","Crystal Growth & Design","2010","10","4","1971","","10.1021/cg1000842","","","0.71073","MoKα","","0.0716","0.0685","","","0.178","0.1823","","","","","","1.114","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501545","8.918","0.003","8.918","0.003","7.69","0.003","90","","90","","90","","611.6","0.4","293","2","293","2","","","","","","","","6","P -4","P -4","81","","","","- C12 H16 Cd Co2 N4 O16 -","- C12 H16 Cd Co2 N4 O16 -","- C12 H16 Cd Co2 N4 O16 -","1","0.25","","Borel, Cédric; Davies, Kate; Handa, Paul; Hedberg, Gustav; Oliver, Clive L.; Bourne, Susan A.; Håkansson, Mikael; Langer, Vratislav; Öhrström, Lars","Family of Isoreticular Chiral Metal−Organic Frameworks Based on Coordination and Hydrogen Bonds in [M[Co(ethylenediamine)(oxalato)2]2]","Crystal Growth & Design","2010","10","4","1971","","10.1021/cg1000842","","","0.71073","MoKα","","0.0702","0.0692","","","0.1857","0.1871","","","","","","1.163","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502356","10.0509","0.0004","10.0509","0.0004","12.312","0.0011","90","","90","","90","","1243.77","0.13","293","2","293","2","","","","","","","","5","P -4","P -4","81","","","","- C22 H28 Cu3 N5 S2 -","- C22 H28 Cu3 N5 S2 -","- C44 H56 Cu6 N10 S4 -","2","0.5","","Chen, Shan-Ci; Yu, Rong-Min; Zhao, Zhen-Guo; Chen, Shu-Mei; Zhang, Qi-Sheng; Wu, Xiao-Yuan; Wang, Fei; Lu, Can-Zhong","A Series of Polynuclear Complexes of d10Metals With Interesting Luminescent Properties","Crystal Growth & Design","2010","10","3","1155","","10.1021/cg901031x","","","0.71073","MoKα","","0.0589","0.0398","","","0.1003","0.1316","","","","","","1.136","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4505055","9.006","0.002","9.006","0.002","5.6627","0.0018","90","","90","","90","","459.3","0.2","293","2","293","2","","","","","","","","7","P -4","P -4","81","","","","- C12 H16 Ag B F4 N4 O2 -","- C12 H16 Ag B F4 N4 O2 -","- C12 H16 Ag B F4 N4 O2 -","1","0.25","","Zhang, Jian; Li, Zhao-Ji; Kang, Yao; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Syntheses and Characterizations of Two Novel Silver(I) Complexes Constructed by Oxydipropionitrile Ligand","Crystal Growth & Design","2005","5","1","73","","10.1021/cg0498756","","","0.71073","MoKα","","","0.0506","","","0.1412","0.1498","","","","","","1.082","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4506115","14.352","0.0003","14.352","0.0003","6.2985","0.0003","90","","90","","90","","1297.36","0.07","296","2","296","2","","","","","","","","6","P -4","P -4","81","","","","- C24 H24 Co N8 O6 S -","- C24 H20 Co N8 O6 S -","- C48 H40 Co2 N16 O12 S2 -","2","0.5","","Park, Ji Hye; Lee, Woo Ram; Ryu, Dae Won; Lim, Kwang Soo; Jeong, Eun A.; Phang, Won Ju; Koh, Eui Kwan; Hong, Chang Seop","Sulfate-Incorporated Co(II) Coordination Frameworks with Bis-imidazole Bridging Ligands Constructed by Covalent and Noncovalent Interactions","Crystal Growth & Design","2012","12","5","2691","","10.1021/cg300302n","","","0.71073","MoKα","","0.0517","0.0444","","","0.1204","0.1246","","","","","","1.075","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4508245","12.3335","0.0009","12.3335","0.0009","18.836","0.003","90","","90","","90","","2865.2","0.5","293","2","293","2","","","","","","","","6","P -4","P -4","81","","","","- C38 H64 Cl2 Cu N8 O20 -","- C34 H40 Cu N8 O6 -","- C68 H80 Cu2 N16 O12 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.0623","0.0423","","","0.1121","0.1208","","","","","","0.776","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4516697","19.0698","0.0004","19.0698","0.0004","9.8294","0.0007","90","","90","","90","","3574.5","0.3","85","","85","","","","","","","","","6","P -4","P -4","81","","","","- C168 H156 Cl4 N20 P4 Ru4 -","- C168 H156 Cl4 N20 P4 Ru4 -","- C168 H156 Cl4 N20 P4 Ru4 -","1","0.25","","Hale, Lillian V. A.; Malakar, Tanmay; Tseng, Kuei-Nin T.; Zimmerman, Paul M.; Paul, Ankan; Szymczak, Nathaniel K.","The Mechanism of Acceptorless Amine Double Dehydrogenation byN,N,N-Amide Ruthenium(II) Hydrides: A Combined Experimental and Computational Study","ACS Catalysis","2016","6","8","4799","","10.1021/acscatal.6b01465","","","1.54187","CuKα","","0.0381","0.0374","","","0.0931","0.0936","","","","","","1.139","","","","has coordinates","239466","2020-10-21","18:00:00",""
"7000305","9.7148","0.0001","9.7148","0.0001","14.5615","0.0003","90","","90","","90","","1374.28","0.03","120","2","120","2","","","","","","","","6","P -4","P -4","81","","","","- Cl H56 Mo8 N12 O56 P9 -","- Cl H56 Mo8 N12 O56 P9 -","- Cl H56 Mo8 N12 O56 P9 -","1","0.25","","Kotsapa, Eleni; Weller, Mark T.","[NH4]12[(MoO2)2O(HPO4)2]4[PO4]X, X = Cl, Br—new porous layer molybdenophosphates with embedded multiple anionic and cationic guests","Dalton Transactions","2009","","3","418","420","10.1039/b817406g","","","0.71073","MoKα","","0.0267","0.0264","","","0.0627","0.0628","","","","","","1.133","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000829","15.1771","0.0011","15.1771","0.0011","11.6305","0.0007","90","","90","","90","","2679","0.3","123","2","123","2","","","","","","","Et2O","4","P -4","P -4","81","(AlH(DmpN3pTol)2)","","","- C62 H64 Al N6 -","- C62 H65 Al N6 -","- C124 H130 Al2 N12 -","2","0.5","","Alexander, Sean G.; Cole, Marcus L.; Forsyth, Craig M.; Furfari, Samantha K.; Konstas, Kristina","Bulky triazenide complexes of alumino- and gallohydrides","Dalton Transactions","2009","","13","2326","2336","10.1039/b817397d","","x-ray","0.71073","MoKα","","0.0873","0.0621","","","0.1182","0.1346","","","","","","1.024","","","","has coordinates","179686","2020-10-21","18:00:00",""
"7016619","22.1963","0.0004","22.1963","0.0004","40.289","0.0011","90","","90","","90","","19849.4","0.7","100","2","100","2","","","","","","","","7","P -4","P -4","81","","","","- C266 H222 B16 Cu8 F64 N74 O16 -","- C266 H222 B10 Cu8 F40 N74 O16 -","- C532 H444 B20 Cu16 F80 N148 O32 -","2","0.5","","Stephenson, Andrew; Ward, Michael D.","Molecular squares, cubes and chains from self-assembly of bis-bidentate bridging ligands with transition metal dications.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10360","10369","10.1039/c1dt10263j","","","0.71073","MoKα","","0.1099","0.0807","","","0.2032","0.2203","","","","","","0.967","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7017903","46.9378","0.0003","46.9378","0.0003","16.513","0.0001","90","","90","","90","","36380.7","0.4","293","2","293","2","","","","","","","","7","P -4","P -4","81","(Ni(C4N3H13)2)3(V15Sb6O42(H2O))(H2O)8","(Ni(C4N3H13)2)3(V15Sb6O42(H2O))(H2O)8","","- C24 H96 N18 Ni3 O51 Sb6 V15 -","- C24 H78 N18 Ni3 O42 Sb6 V15 -","- C384 H1248 N288 Ni48 O672 Sb96 V240 -","16","4","","Antonova, Elena; Näther, Christian; Bensch, Wolfgang","Antimonato polyoxovanadates with structure directing transition metal complexes: pseudopolymorphic {Ni(dien)2}3[V15Sb6O42(H2O)]·nH2O compounds and {Ni(dien)2}4[V16Sb4O42(H2O)].","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1338","1344","10.1039/c1dt11635e","","","0.71073","MoKα","","0.0328","0.0306","","","0.0758","0.0768","","","","","","1.039","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7025912","20.0734","0.0002","20.0734","0.0002","9.1385","0.0001","90","","90","","90","","3682.28","0.07","293","","293","","","","","","","","","5","P -4","P -4","81","","","","- C48 H44 Gd2 N2 O14 -","- C48 H44 Gd2 N2 O14 -","- C192 H176 Gd8 N8 O56 -","4","1","","Parois, Pascal; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Murrie, Mark; Parsons, Simon","The effect of pressure on the crystal structure of [Gd(PhCOO)3(DMF)]n to 3.7 GPa and the transition to a second phase at 5.0 GPa.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7004","7011","10.1039/c0dt00046a","","","0.4865","synchrotron","","0.0573","0.0512","","0.0831","0.0543","0.0543","","","","","","0.9479","","","","has coordinates","179965","2020-10-21","18:00:00",""
"7038759","16.134","0.002","16.134","0.002","4.5489","0.0014","90","","90","","90","","1184.1","0.4","289","2","289","2","","","","","","","","5","P -4","P -4","81","","","","- C14 H22 Cu3 O16 P4 -","- C14 H22 Cu3 O16 P4 -","- C28 H44 Cu6 O32 P8 -","2","0.5","","Hou, Xiaomin; Tang, Si-Fu","Speciation of metal phosphonates with the assistance of weak interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7349","7359","10.1039/c6dt00643d","","","0.71073","MoKα","","0.0887","0.0564","","","0.1454","0.1643","","","","","","1.008","","","","has coordinates,has disorder","182737","2020-10-21","18:00:00",""
"7045725","18.3763","0.001","18.3763","0.001","4.4365","0.0002","90","","90","","90","","1498.15","0.13","100","2","100","2","","","","","","","","3","P -4","P -4","81","","","","- C37 H28 N4 -","- C37 H28 N4 -","- C74 H56 N8 -","2","0.5","","bhol, Mamina; Shankar, Bhaskaran; Malaichamy, Sathiyendiran","Rhenium(I) based irregular pentagonal-shaped metallacavitands","Dalton Transactions","2018","","","","","10.1039/C8DT00574E","","","0.71073","MoKα","","0.0668","0.057","","","0.1371","0.1427","","","","","","1.062","","","","has coordinates","206640","2020-10-21","18:00:00",""
"7052645","24.609","0.002","24.609","0.002","15.7876","0.0018","90","","90","","90","","9561","1.5","293","2","293","2","","","","","","","","6","P -4","P -4","81","((Ru2(piv)4)3W(CN)8(H2O))","[{Ru2(piv)4}3W(CN)8(H2O)]","","- C68 H110 N8 O25 Ru6 W -","- C68 H93 N8 O25 Ru6 W -","- C272 H372 N32 O100 Ru24 W4 -","4","1","","Mikuriya, Masahiro; Yoshioka, Daisuke; Borta, Ana; Luneau, Dominique; Matoga, Dariusz; Szklarzewicz, Janusz; Handa, Makoto","Molecule-based magnetic materials based on dinuclear ruthenium carboxylate and octacyanotungstate","New Journal of Chemistry","2011","35","6","1226","","10.1039/c0nj00855a","","","0.71073","MoKα","","0.0805","0.0425","","","0.073","0.0775","","","","","","0.766","","","","has coordinates,has disorder","275218","2022-05-08","21:24:23",""
"7055728","11.0742","0.0016","11.0742","0.0016","6.4127","0.0009","90","","90","","90","","786.44","0.19","100","2","100","2","","","","","","","no","5","P -4","P -4","81","bis(TMS)selenophenedioxide","bis(TMS)selenophenedioxide","","- C10 H20 O2 Se Si2 -","- C10 H20 O2 Se Si2 -","- C20 H40 O4 Se2 Si4 -","2","0.5","","Masuda, Toshiyuki; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Setaka, Wataru","Facile synthesis of 2,5-bis(silyl)selenophene-1,1-dioxide and its photophysical properties","New J. Chem.","2016","40","10","8593","","10.1039/C6NJ01886F","","","0.71073","MoKα","","0.024","0.0238","","","0.0709","0.0709","","","","","","0.945","","","","has coordinates,has disorder","187173","2020-10-21","18:00:00",""
"7059151","18.7466","0.0013","18.7466","0.0013","8.339","0.0006","90","","90","","90","","2930.6","0.4","150","2","150","2","","","","","","","","6","P -4","P -4","81","","","","- C20.5 H33 B2 Cl Ir2 S7 -","- C20.5 H33 B2 Cl Ir2 S7 -","- C82 H132 B8 Cl4 Ir8 S28 -","4","1","","Joseph, Benson; Prakash, Rini; Pathak, Kriti; Roisnel, Thierry; Kahlal, Samia; Halet, Jean-François; Ghosh, Sundargopal","A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues","New Journal of Chemistry","2020","44","3","674","683","10.1039/C9NJ05117A","","","0.71073","MoKα","","0.0743","0.0579","","","0.1344","0.145","","","","","","1.044","","","","has coordinates,has disorder","257904","2020-10-21","18:00:00",""
"7100610","15.6156","0.0005","15.6156","0.0005","14.0477","0.0009","90","","90","","90","","3425.5","0.3","100","2","100","2","","","","","","","","5","P -4","P -4","81","","","","- C108 H72 O48 P2 Pt38 -","- C108 H72 O48 P2 Pt38 -","- C108 H72 O48 P2 Pt38 -","1","0.25","","Giuliano Longoni; Cristina Femoni; M. Carmela Iapalucci; Francesco Kaswalder; Marita Mehlstaubl; Stefano Zacchini","High-yield one-step synthesis in water of [Pt3n(CO)6n]2- (n>6) and [Pt38(CO)44]2-.","Chemical Communications","2005","","","","","10.1039/b513507a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7102351","13.9677","0.0013","13.9677","0.0013","7.5462","0.0014","90","","90","","90","","1472.2","0.3","292","2","292","2","","","","","","","","3","P -4","P -4","81","Cesium selenophosphate","Cesium selenophosphate","","- Cs5 P5 Se12 -","- Cs5 P5 Se12 -","- Cs10 P10 Se24 -","2","0.5","","Chung, In; Jang, Joon I; Gave, Matthew A; Weliky, David P; Kanatzidis, Mercouri G","Low valent phosphorus in the molecular anions [P5Se12]5- and beta-[P6Se12]4-: phase change behavior and near infrared second harmonic generation.","Chemical communications (Cambridge, England)","2007","","47","4998","5000","10.1039/b714301j","","","0.71073","MoKα","","0.037","0.03","","","0.0727","0.0855","","","","","","1.159","","","","has coordinates","180125","2020-10-21","18:00:00",""
"7111508","21.1876","0.0005","21.1876","0.0005","10.3198","0.0003","90","","90","","90","","4632.7","0.2","173","2","173","2","","","","","","","synthesis as described","4","P -4","P -4","81","","","","- C48 H88 Ce N4 -","- C48 H88 Ce N4 -","- C192 H352 Ce4 N16 -","4","1","","Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.","Facile formation of a homoleptic Ce(iv) amide via aerobic oxidation","Chemical Communications","2006","","33","3546","3548","10.1039/b607429d","","x-ray","0.71073","MoKα","","0.0746","0.0484","","","0.0956","0.106","","","","","","1.006","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7111748","11.652","0.0016","11.652","0.0016","6.2473","0.0012","90","","90","","90","","848.2","0.2","153","2","153","2","","","","","","","","4","P -4","P -4","81","","","","- C40 H36 Fe4 P4 -","- C40 H36 Fe4 P4 -","- C40 H36 Fe4 P4 -","1","0.25","","Naseri, Vesal; Less, Robert J.; Mulvey, Robert E.; McPartlin, Mary; Wright, Dominic S.","Stoichiometric and catalytic Sn-mediated dehydrocoupling of primary phosphines","Chemical Communications","2010","46","27","5000","5002","10.1039/c0cc00827c","","","0.71073","MoKα","","0.0421","0.0412","","","0.1065","0.1077","","","","","","1.092","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7150752","21.97","0.003","21.97","0.003","6.972","0.001","90","","90","","90","","3365.3","0.8","123","2","123","2","","","","","","","","4","P -4","P -4","81","1,3,5,7-Tetrakis(4-(1-phenyl-1,2,3-triazol-4- yl)phenyl)adamantane","1,3,5,7-Tetrakis(4-(1-phenyl-1,2,3-triazol-4-yl)phenyl)adamantane","","- C70 H56 Cl12 N12 -","- C70 H56 Cl12 N12 -","- C140 H112 Cl24 N24 -","2","0.5","","Plietzsch, Oliver; Schilling, Christine Inge; Tolev, Mariyan; Nieger, Martin; Richert, Clemens; Muller, Thierry; Bräse, Stefan","Four-fold click reactions: Generation of tetrahedral methane- and adamantane-based building blocks for higher-order molecular assemblies","Organic & Biomolecular Chemistry","2009","7","22","4734","4743","10.1039/b912189g","","","0.71073","MoKα","","0.0617","0.0502","","","0.1238","0.1315","","","","","","1.058","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7151463","15.4224","0.0013","15.4224","0.0013","4.8824","0.0006","90","","90","","90","","1161.3","0.2","200","2","200","2","","","","","","","","3","P -4","P -4","81","","","","- C11 H14 Se2 -","- C11 H14 Se2 -","- C44 H56 Se8 -","4","1","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0563","0.0426","","","0.1026","0.1111","","","","","","1.074","","","","has coordinates,has disorder","180300","2020-10-21","18:00:00",""
"7151740","29.508","0.001","29.508","0.001","12.139","0.001","90","","90","","90","","10569.7","1","293","2","293","2","","","","","","","","5","P -4","P -4","81","","?(5S,6R)-Dimethyl 8-bromo-6-hydroxyl-4-isopropyl-5-(2-pyridyl)- 5,6-dihydrobenzo[d]furo[3,2-b]azepine-2,3-dicarboxylate","","- C24 H23 Br N2 O6 -","- C24 H23 Br N2 O6 -","- C384 H368 Br16 N32 O96 -","16","4","","Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying","The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines.","Organic & biomolecular chemistry","2011","9","7","2166","2174","10.1039/c0ob00746c","","","0.71073","MoKα","","0.0735","0.0446","","","0.0964","0.1038","","","","","","0.971","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7154466","16.449","0.0008","16.449","0.0008","8.4714","0.0004","90","","90","","90","","2292.1","0.19","223","2","223","2","","","","","","","","3","P -4","P -4","81","","","","- C26 H27 N3 -","- C26 H27 N3 -","- C104 H108 N12 -","4","1","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","1.54178","CuKα","","0.0693","0.0592","","","0.1527","0.1621","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7203212","12.4153","0.0018","12.4153","0.0018","7.3494","0.0015","90","","90","","90","","1132.8","0.3","293","2","273","","","","","","","","","5","P -4","P -4","81","1,3,5,7-tetrakis(4-Phosphonophenyl)adamantane bis-chloroform solvate tetrahydrate","1,3,5,7-tetrakis(4-Phosphonophenyl)adamantane bis-chloroform solvate tetrahydrate","","- C36 H46 Cl6 O16 P4 -","- C36 H46 Cl6 O16 P4 -","- C36 H46 Cl6 O16 P4 -","1","0.25","","Jones, Katherine M. E.; Mahmoudkhani, Amir H.; Chandler, Brett D.; Shimizu, George K. H.","An adamantane-based tetraphosphonic acid that forms an open diamondoid net via a hydrogen-bonded phosphonic acid?water cluster","CrystEngComm","2006","8","4","303","","10.1039/b516332c","","x-ray","0.71073","MoKα","","0.0556","0.0471","","","0.114","0.1236","","","","","","1.075","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203434","8.898","0.003","8.898","0.003","7.679","0.003","90","","90","","90","","608","0.4","293","2","293","2","","","","","","","","6","P -4","P -4","81","","","","- C12 H16 Ca Co2 N4 O16 -","- C12 H16 Ca Co2 N4 O16 -","- C12 H16 Ca Co2 N4 O16 -","1","0.25","","Cédric Borel; Mikael Håkansson; Lars Öhrström","Coordination bonds and strong hydrogen bonds giving a framework material based on a 4- and 8-connected net in [Ca[Co(en)(oxalato)<small><sub>2</sub></small>]<small><sub>2</sub></small>]<small><sub><i>n</i></sub></small>","CrystEngComm","2006","8","9","666","","10.1039/b605762d","","","0.71073","MoKα","","0.0716","0.0685","","","0.178","0.1823","","","","","","1.114","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7206358","12.114","0.0005","12.114","0.0005","8.9974","0.0005","90","","90","","90","","1320.36","0.11","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -4","P -4","81","","","","- C59 H52 N4 O14 S2 -","- C59 H52 N4 O14 S2 -","- C59 H52 N4 O14 S2 -","1","0.25","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular networks built from weakly interacting nitro-substituted pentaerythrityl tetraaryl ethers","CrystEngComm","2005","7","","158","160","10.1039/b500757g","","","1.54178","CuKα","","0.0841","0.059","","","0.1703","0.1884","","","","","","0.959","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7210591","14.789","0.002","14.789","0.002","17.044","0.003","90","","90","","90","","3727.8","1","153","2","153","2","","","","","","","","5","P -4","P -4","81","complex1","","","- C65 H67 N11 O22 Zn4 -","- C65 H67 N11 O22 Zn4 -","- C130 H134 N22 O44 Zn8 -","2","0.5","","Tang, Bei-bei; Ma, Heng; Li, Guan-zheng; Wang, Yue-bing; Anwar, Gulinazi; Shi, Rufei; Li, Hui","Synthesis, crystal structures and luminescent properties of tetranuclear Zn molecular clusters with aroylhydrazone ligand","CrystEngComm","2013","15","40","8069","","10.1039/c3ce41034j","","","0.71073","MoKα","","0.0848","0.0641","","","0.1685","0.1828","","","","","","1.089","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210927","18.1493","0.0017","18.1493","0.0017","7.9703","0.0008","90","","90","","90","","2625.4","0.4","150","2","150","2","","","","","","","","7","P -4","P -4","81","","","","- C48 H48 Cd F4 N12 O12 S -","- C48 H40 Cd F4 N12 O12 S -","- C96 H80 Cd2 F8 N24 O24 S2 -","2","0.5","","Akhuli, Bidyut; Ghosh, Tamal Kanti; Ghosh, Pradyut","Effect of coordinating (‒CN) vs. non-coordinating (‒F) substituents in 3-pyridyl urea receptors toward second sphere sulfate recognition: selective crystallisation of CuSO4 from mixtures of competing anions/cations","CrystEngComm","2013","15","45","9472","","10.1039/c3ce40974k","","","0.71073","MoKα","","0.0344","0.0336","","","0.0888","0.0895","","","","","","1.092","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7217888","23.361","0.002","23.361","0.002","12.248","0.002","90","","90","","90","","6684.2","1.4","100","3","100","3","","","","","","","","4","P -4","P -4","81","","","","- C19 H94 N O33.7 -","- C19.128 H79.4232 N1.008 O33.6752 -","- C95.64 H397.116 N5.04 O168.376 -","5","1.25","","Muromachi, Sanehiro; Abe, Toru; Yamamoto, Yoshitaka; Takeya, Satoshi","Hydration structures of lactic acid: characterization of the ionic clathrate hydrate formed with a biological organic acid anion.","Physical chemistry chemical physics : PCCP","2014","16","39","21467","21472","10.1039/c4cp03444a","","","0.7107","MoKα","","0.0933","0.0792","","","0.213","0.2231","","","","","","1.057","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7225810","14.952","0.002","14.952","0.002","9.0826","0.0018","90","","90","","90","","2030.5","0.6","293","2","293","2","","","","","","","","5","P -4","P -4","81","C28 H41.70 N12.40 O18.45 Zn4","","","- C28 H41.7 N12.4 O18.45 Zn4 -","- C28 H31.2 N12.4 O18.45 Zn4 -","- C56 H62.4 N24.8 O36.9 Zn8 -","2","0.5","","Xiao, Yu; Wang, Shuai-Hua; Xu, Jian-Gang; Sun, Cai; Li, Rong; Zhao, Ya-Ping; Yan, Yong; Zheng, Fa-Kun; Guo, Guo-Cong","An enhanced extended hook method to realize tetranuclear metal clusters embedded in energetic metal‒organic framework channels","CrystEngComm","2016","18","31","5803","","10.1039/C6CE00892E","","","0.71073","MoKα","","0.0421","0.0393","","","0.1022","0.1033","","","","","","1.007","","","","has coordinates,has disorder","185254","2020-10-21","18:00:00",""
"7231935","17.9565","0.0016","17.9565","0.0016","12.1543","0.0011","90","","90","","90","","3919","0.6","100","2","100","2","","","","","","","","3","P -4","P -4","81","","","","- C44 H48 O12 -","- C44 H48 O12 -","- C176 H192 O48 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0627","0.04","","","0.088","0.0958","","","","","","1","","","","has coordinates","223738","2020-10-21","18:00:00",""
"7233481","23.504","0.003","23.504","0.003","9.1114","0.0013","90","","90","","90","","5033.5","1.2","296","2","296","2","","","","","","","","4","P -4","P -4","81","","","","- C33 H24 Ir N3 -","- C33 H24 Ir N3 -","- C264 H192 Ir8 N24 -","8","2","","Ping Wang; Fei-Fei Wang; Yi Chen; Qiang Niu; Lei Lu; Hong-Ming Wang; Xi-Cun Gao; Bin Wei; Hong-Wei Wu; Xin Cai; De-Chun Zou","Synthesis of all-deuterated tris(2-phenylpyridine)iridium for highly stable electrophosphorescence: the ""deuterium effect""","Journal of Materials Chemistry C","2013","1","","4821","4825","10.1039/C3TC30547C","","","0.71073","MoKα","","0.0251","0.0226","","","0.0522","0.0531","","","","","","1.136","","","","has coordinates","217741","2020-10-21","18:00:00",""
"7235554","19.258","0.005","19.258","0.005","9.374","0.002","90","","90","","90","","3476.5","1.5","110","2","110","2","","","","","","","","5","P -4","P -4","81","","","","- C19 H17 N3 O S -","- C19 H17 N3 O S -","- C152 H136 N24 O8 S8 -","8","2","","Jeyalakshmi, Kumaramangalam; Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Sreekanth, Anantharaman; Karvembu, Ramasamy","DNA/protein binding and cytotoxicity studies of copper(ii) complexes containing N,N′,N′′-trisubstituted guanidine ligands","RSC Advances","2014","4","33","17179","","10.1039/c4ra01459f","","","0.71073","MoKα","","0.0436","0.0403","","","0.0917","0.0939","","","","","","1.092","","","","has coordinates,has disorder","233127","2020-10-21","18:00:00",""
"7239735","18.4376","0.0007","18.4376","0.0007","11.2852","0.0005","90","","90","","90","","3836.3","0.3","173","2","173","2","","","","","","","","3","P -4","P -4","81","","","","- C44 H48 O8 -","- C44 H48 O8 -","- C176 H192 O32 -","4","1","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","1.34139","GaKα","","0.0757","0.0736","","","0.2311","0.2331","","","","","","1.075","","","","has coordinates,has disorder","287883","2023-11-30","11:40:54",""
"7243658","20.4751","0.0003","20.4751","0.0003","13.4593","0.001","90","","90","","90","","5642.5","0.4","100","0.1","100","0.1","","","","","","","","5","P -4","P -4","81","","Ni4TQ","","- C140.3 H117.1 N4 Ni O8 -","- C140.304 H117.112 N4 Ni O8 -","- C280.608 H234.224 N8 Ni2 O16 -","2","0.5","","Chen, Chen; Li, Dan; Cao, Guanyue; Qin, Zhonghe; Xu, Yi; Liu, Xiujun; Li, Qizhao; Xie, Yongshu; Li, Chengjie","Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin","CrystEngComm","2021","23","43","7565","7569","10.1039/D1CE01173A","","x-ray","1.54184","CuKα","","0.0909","0.0708","","","0.1993","0.2207","","","","","","1.059","","","","has coordinates,has disorder","271162","2021-12-07","02:55:37",""
"7247882","23.43538","0.00016","23.43538","0.00016","12.3915","0.00013","90","","90","","90","","6805.62","0.1","100","2","100","2","","","","","","","","5","P -4","P -4","81","","","","- C10 H3.5 Cl0.5 N6.5 O18 -","- C8.287 H34.8937 Cl0.77075 N0.5222 O20.2549 -","- C66.296 H279.15 Cl6.166 N4.1776 O162.04 -","8","2","","Muromachi, Sanehiro; Takeya, Satoshi","Guest size effects on a robust structure of semiclathrate hydrates and their thermophysical properties.","Physical chemistry chemical physics : PCCP","2024","26","4","3315","3321","10.1039/d3cp04252a","","","1.54184","CuKα","","0.082","0.0763","","","0.2222","0.2305","","","","","","1.112","","","","has coordinates,has disorder","289640","2024-02-04","12:31:26",""
"7703505","17.703","0.002","17.703","0.002","14.619","0.003","90","","90","","90","","4581.5","1.2","120","2","120","2","","","","","","","","3","P -4","P -4","81","","","","- C52 H72 N8 -","- C52 H72 N8 -","- C208 H288 N32 -","4","1","","Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3112","3119","10.1039/d0dt00335b","","","0.71073","MoKα","","0.2344","0.099","","","0.2147","0.2843","","","","","","1.03","","","","has coordinates","250271","2020-10-21","18:00:00",""
"7704170","14.0352","0.0002","14.0352","0.0002","12.0689","0.0002","90","","90","","90","","2377.41","0.06","100","2","100","2","","","","","","","","5","P -4","P -4","81","","","","- C14 H34 Be1.5 Cl7 N2 -","- C14 H34 Be1.5 Cl7 N2 -","- C56 H136 Be6 Cl28 N8 -","4","1","","Buchner, Magnus R.; Müller, Matthias; Spang, Nils","Probing the electronic boundaries between trigonal and tetrahedral coordination at beryllium.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7708","7712","10.1039/d0dt01442g","","","1.54178","CuKα","","0.0284","0.028","","","0.0831","0.0835","","","","","","1.039","","","","has coordinates,has disorder","253915","2020-10-21","18:00:00",""
"7710572","11.904","0.004","11.904","0.004","10.58","0.003","90","","90","","90","","1499.2","0.8","100","2","100","2","","","","","","","","3","P -4","P -4","81","Os1-iPr","tetrakis(2-isopropylphenyl)osmium(IV)","","- C36 H44 Os -","- C36 H44 Os -","- C72 H88 Os2 -","2","0.5","","Parr, Joseph Michael; Olivar, Clarissa; Saal, Thomas; Haiges, Ralf; Inkpen , Michael Stephen","Pushing steric limits in osmium(IV) tetraaryl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01706G","","","0.71073","MoKα","","0.0296","0.0205","","","0.0397","0.042","","","","","","1.025","","","","has coordinates","276210","2022-06-23","23:14:32",""
"7712389","19.636","0.0013","19.636","0.0013","10.9821","0.0011","90","","90","","90","","4234.4","0.6","150","2","150","","","","","","","","","8","P -4","P -4","81","","","","- C31 H85 Ba Br N4 O43.5 S12 V12 -","- C31 H85 Ba Br N4 O43.5 S12 V12 -","- C62 H170 Ba2 Br2 N8 O87 S24 V24 -","2","0.5","","Repp, Stefan; Junginger, Kim; Sorsche, Dieter; Zorn, Theresa; Poppler, Ann-Christin; Kikukawa, Yuji; Hayashi, Yoshihito; Streb, Carsten","Mechanistic insights into template-driven polyoxovanadate self-assembly: the role of internal and external templates","Dalton Transactions","2023","","","","","10.1039/D3DT00252G","","","0.71073","MoKα","","0.0408","0.0279","","","0.0701","0.0797","","","","","","1.108","","","","has coordinates,has disorder","281120","2023-02-24","08:43:47",""
"7713681","19.493","0.0003","19.493","0.0003","10.5729","0.0003","90","","90","","90","","4017.46","0.14","170","2","170","","","","","","","","","5","P -4","P -4","81","","","","- C88 H92 Ga2 N6 O4 -","- C88 H92 Ga2 N6 O4 -","- C176 H184 Ga4 N12 O8 -","2","0.5","","Wang, Bing; Chen, Wenhao; Yang, Jiangnan; Lu, Linfang; Liu, Jiyong; Shen, Liang; Wu, Di","N-heterocyclic imine-based bis-gallium(I) carbene analog featuring a four-membered Ga2N2 ring","Dalton Transactions","2023","","","","","10.1039/D3DT00782K","","","0.71073","MoKα","","0.0276","0.0254","","","0.0647","0.0659","","","","","","1.04","","","","has coordinates,has disorder","285590","2023-08-08","22:55:07",""
"8103578","9.633","","9.633","","8.33","","90","","90","","90","","772.98","","","","","","","","","","","","","4","P -4","P -4","81","","(Ag (N H3)2) Ag (N O2)2","","- Ag2 H6 N4 O4 -","- Ag2 N4 O4 -","- Ag8 N16 O16 -","4","1","","Maurer, H.M.; Weiss, A.","The crystal structure of diamminesilver dinitroargentate (Ag (N H3)2) Ag (N O2)2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1977","146","","227","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103584","23.46","","23.46","","5.015","","90","","90","","90","","2760.11","","","","","","","","","","","","","4","P -4","P -4","81","","Ca2 Co (Si2 O7)","","- Ca2 Co O1.66667 Si2 -","- Ca2 Co O1.66667 Si2 -","- Ca36 Co18 O30 Si36 -","18","4.5","","Riester, M.; Boehm, H.; Petricek, V.","The commensurately modulated structure of the lock-in phase of synthetic Co-akermanite, Ca2 Co Si2 O7","Zeitschrift fuer Kristallographie (149,1979-)","2000","215","","102","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9011315","23.518","","23.518","","5.0263","","90","","90","","90","","2780.03","","","","","","","","","","","","","5","P -4","P -4","81","","","","- Ca2 Co0.9 O7 Si2 Zn0.1 -","- Ca2 Co0.9 O7 Si2 Zn0.1 -","- Ca36 Co16.2 O126 Si36 Zn1.8 -","18","4.5","","Jia, Z. H.; Schaper, A. K.; Massa, W.; Treutmann, W.; Rager, H.","Structure and phase transitions in Ca2CoSi2O7-Ca2ZnSi2O7 solid-solution crystals","Acta Crystallographica, Section B","2006","62","4","547","555","10.1107/S0108768106016612","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""